OOMMPPAA: a tool to aid directed synthesis by the combined analysis of activity and structural data.
There is an ever increasing resource in terms of both structural information and activity data for many protein targets. In this paper we describe OOMMPPAA, a novel computational tool designed to inform compound design by combining such data. OOMMPPAA uses 3D matched molecular pairs to generate 3D l...
| Autors principals: | , , , , |
|---|---|
| Format: | Journal article |
| Idioma: | English |
| Publicat: |
American Chemical Society
2014
|